CID 3127274

2-[(pyridin-3-ylmethyl)-amino]-ethanol

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=CN=C1)CNCCO

InChI

InChI=1S/C8H12N2O/c11-5-4-10-7-8-2-1-3-9-6-8/h1-3,6,10-11H,4-5,7H2

InChIKey

QOBASENDLSYOKH-UHFFFAOYSA-N

Compound name

2-(pyridin-3-ylmethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 152.09496 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	153.10224	131.2
[M+Na]+	175.08418	137.7
[M-H]-	151.08768	131.9
[M+NH4]+	170.12878	149.9
[M+K]+	191.05812	135.4
[M+H-H2O]+	135.09222	124.5
[M+HCOO]-	197.09316	154.6
[M+CH3COO]-	211.10881	175.1
[M+Na-2H]-	173.06963	139.9
[M]+	152.09441	130.0
[M]-	152.09551	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe